1-[4-[4-(azepan-1-ylsulfonyl)piperazin-1-yl]carbonylphenyl]urea

Systemtic Name: 1-[4-[4-(azepan-1-ylsulfonyl)piperazin-1-yl]carbonylphenyl]urea Openeye Name: [4-[4-(azepan-1-ylsulfonyl)piperazine-1-carbonyl]phenyl]urea CAS Name: [4-[[4-(1-azepanylsulfonyl)-1-piperazinyl]-oxomethyl]phenyl]urea IUPAC Name: [4-[4-(azepan-1-ylsulfonyl)piperazine-1-carbonyl]phenyl]urea Traditional Name: [4-[4-(azepan-1-ylsulfonyl)piperazine-1-carbonyl]phenyl]urea Formula: C18H27N5O4S MolecularWeight: 409.50308

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)S(=O)(=O)N2CCN(CC2)C(=O)C3=CC=C(C=C3)NC(=O)N

Isomeric SMILES

C1CCCN(CC1)S(=O)(=O)N2CCN(CC2)C(=O)C3=CC=C(C=C3)NC(=O)N

InChI

InChI=1S/C18H27N5O4S/c19-18(25)20-16-7-5-15(6-8-16)17(24)21-11-13-23(14-12-21)28(26,27)22-9-3-1-2-4-10-22/h5-8H,1-4,9-14H2,(H3,19,20,25)